The mechanism of Mg diffusion in forsterite and the controls on its anisotropy

Mg diffusion is important for explaining many properties of forsterite but its mechanism is unknown. This makes it hard to predict how it will behave in different circumstances. In this study we used Density Functional Theory (DFT) and a Kinetic Monte Carlo (KMC) method to calculate the diffusivity...

Повний опис

Бібліографічні деталі
Автори: Muir, JMR, Zhang, F, Walker, AM
Формат: Journal article
Мова:English
Опубліковано: Elsevier 2021